tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane

C12H24O2Si — CID 10728073

IUPACtert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESCO[C@@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(5,6)14-11-8-7-10(9-11)13-4/h7-8,10-11H,9H2,1-6H3/t10-,11+/m1/s1
InChIKeyUECWJCPTZHQJCE-MNOVXSKESA-N
MW228.41 g/mol
LogP3.35
Rot. Bonds3

About tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane (PubChem CID 10728073) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane
PubChem CID10728073
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESCO[C@@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(5,6)14-11-8-7-10(9-11)13-4/h7-8,10-11H,9H2,1-6H3/t10-,11+/m1/s1
InChIKeyUECWJCPTZHQJCE-MNOVXSKESA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[(1S,4R)-4-(2-phenylpropan-2-yloxy)cyclopent-2-en-1-yl]oxysilane
CID 11823786
tert-butyl N-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]carbamate
CID 25112436
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 24865686
tert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane
CID 10658111
tert-butyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-3-oxobutanoate
CID 102220994
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 24814599
7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane
CID 15418774
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] acetate
CID 10978542
3-[tert-butyl(dimethyl)silyl]oxy-N-methylcyclobutan-1-amine
CID 170768326
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
tert-butyl-dimethyl-[(1-methyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)oxy]silane
CID 20678371

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane (CID 10728073) is tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane is CO[C@@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is UECWJCPTZHQJCE-MNOVXSKESA-N. The full InChI is InChI=1S/C12H24O2Si/c1-12(2,3)15(5,6)14-11-8-7-10(9-11)13-4/h7-8,10-11H,9H2,1-6H3/t10-,11+/m1/s1.
What are the key properties of tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 228.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 10728073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).